benzenesulfonate; 3-(1-methylpiperidin-1-ium-1-yl)thiolane 1,1-dioxide

Systemtic Name: benzenesulfonate; 3-(1-methylpiperidin-1-ium-1-yl)thiolane 1,1-dioxide Openeye Name: benzenesulfonate; 3-(1-methylpiperidin-1-ium-1-yl)thiolane 1,1-dioxide CAS Name: benzenesulfonate; 3-(1-methyl-1-piperidin-1-iumyl)thiolane 1,1-dioxide IUPAC Name: benzenesulfonate; 3-(1-methylpiperidin-1-ium-1-yl)thiolane 1,1-dioxide Traditional Name: 3-(1-methylpiperidin-1-ium-1-yl)sulfolane besylate Formula: C16H25NO5S2 MolecularWeight: 375.5034

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)C2CCS(=O)(=O)C2.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1(CCCCC1)C2CCS(=O)(=O)C2.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C10H20NO2S.C6H6O3S/c1-11(6-3-2-4-7-11)10-5-8-14(12,13)9-10;7-10(8,9)6-4-2-1-3-5-6/h10H,2-9H2,1H3;1-5H,(H,7,8,9)/q+1;/p-1